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Complexes of CO(2) with the Azoles: Tetrel Bonds, Hydrogen Bonds and Other Secondary Interactions

Ab initio MP2/aug’-cc-pVTZ calculations have been performed to investigate the complexes of CO(2) with the azoles pyrrole, pyrazole, imidazole, 1,2,3- and 1,2,4-triazole, tetrazole and pentazole. Three types of complexes have been found on the CO(2):azole potential surfaces. These include ten comple...

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Foilsithe in:Molecules
Main Authors: Del Bene, Janet E., Elguero, José, Alkorta, Ibon
Formáid: Artigo
Teanga:Inglês
Foilsithe: MDPI 2018
Ábhair:
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC6017967/
https://ncbi.nlm.nih.gov/pubmed/29662005
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules23040906
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